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High substitution rate in TiO2 anatase nanoparticles with cationic vacancies for fast lithium storage

hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
dc.contributor.authorLI, Wei
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
dc.contributor.authorCORRADINI, Dario
hal.structure.identifierInstitut des Molécules et Matériaux du Mans [IMMM]
dc.contributor.authorBODY, Monique
hal.structure.identifierInstitut des Molécules et Matériaux du Mans [IMMM]
dc.contributor.authorLEGEIN, Christophe
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
dc.contributor.authorSALANNE, Mathieu
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
dc.contributor.authorMA, Jiwei
hal.structure.identifierX-ray Science Division [XSD]
dc.contributor.authorCHAPMAN, Karena W.
hal.structure.identifierX-ray Science Division [XSD]
dc.contributor.authorCHUPAS, Peter J.
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
dc.contributor.authorROLLET, Anne-Laure
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
dc.contributor.authorJULIEN, Christian
hal.structure.identifierEnergy Storage and Conversion, Research Institute of Hydro-Québec
dc.contributor.authorZHAGIB, Karim
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDUTTINE, Mathieu
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorDEMOURGUES, Alain
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
dc.contributor.authorGROULT, Henri
hal.structure.identifierPHysicochimie des Electrolytes et Nanosystèmes InterfaciauX [PHENIX]
dc.contributor.authorDAMBOURNET, Damien
dc.date.issued2015
dc.identifier.issn0897-4756
dc.description.abstractEnDoping is generally used to tune and enhance the properties of metal oxides. However, their chemical composition cannot be readily modified beyond low dopant amounts without disrupting the crystalline atomic structure. In the case of anatase TiO2, we introduce a new solution-based chemical route allowing the composition to be significantly modified, substituting the divalent O2– anions by monovalent F– and OH– anions resulting in the formation of cationic Ti4+ vacancies (□) whose concentration can be controlled by the reaction temperature. The resulting polyanionic anatase has the general composition Ti1–x–y□x+yO2–4(x+y)F4x(OH)4y, reaching vacancy concentrations of up to 22%, i.e., Ti0.78□0.22O1.12F0.4(OH)0.48. Solid-state 19F NMR spectroscopy reveals that fluoride ions can accommodate up to three different environments, depending on Ti and vacancies (i.e. Ti3-F, Ti2□1-F, and Ti1□2-F), with a preferential location close to vacancies. DFT calculations further confirm the fluoride/vacancy ordering. When its characteristics were evaluated as an electrode for reversible Li-ion storage, the material shows a modified lithium reaction mechanism, which has been rationalized by the occurrence of cationic vacancies acting as additional lithium hosting sites within the anatase framework. Finally, the material shows a fast discharging/charging behavior, compared to TiO2, highlighting the benefits of the structural modifications and paving the way for the design of advanced electrode materials, based on a defect mediated mechanism.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.subject.enOxides
dc.subject.enDefects in solids
dc.subject.enAnions
dc.subject.enMinerals
dc.subject.enLithium
dc.title.enHigh substitution rate in TiO2 anatase nanoparticles with cationic vacancies for fast lithium storage
dc.typeArticle de revue
dc.identifier.doi10.1021/acs.chemmater.5b01407
dc.subject.halChimie/Matériaux
bordeaux.journalChemistry of Materials
bordeaux.page5014-5019
bordeaux.volume27
bordeaux.issue14
bordeaux.peerReviewedoui
hal.identifierhal-01204724
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01204724v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Chemistry%20of%20Materials&rft.date=2015&rft.volume=27&rft.issue=14&rft.spage=5014-5019&rft.epage=5014-5019&rft.eissn=0897-4756&rft.issn=0897-4756&rft.au=LI,%20Wei&CORRADINI,%20Dario&BODY,%20Monique&LEGEIN,%20Christophe&SALANNE,%20Mathieu&rft.genre=article


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